Chemical Properties of 2,4-Bis(1-methylbutyl)phenol

InChI

InChI=1S/C16H26O/c1-5-7-12(3)14-9-10-16(17)15(11-14)13(4)8-6-2/h9-13,17H,5-8H2,1-4H3

InChI Key

QEVQVYGCTVKSER-UHFFFAOYSA-N

Formula

C16H26O

SMILES

CCCC(C)c1ccc(O)c(C(C)CCC)c1

Molecular Weight¹

234.38

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[306.45; 746.71]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-4.35460e+01
Coefficient B			1.55188e+00
Coefficient C			-1.07352e-03
Coefficient D			3.11900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	306.45	J/mol×K	273.00	Calculated Property
Cp,gas	384.92	J/mol×K	353.78	Calculated Property
Cp,gas	453.70	J/mol×K	434.56	Calculated Property
Cp,gas	513.78	J/mol×K	515.33	Calculated Property
Cp,gas	566.14	J/mol×K	596.11	Calculated Property
Cp,gas	611.77	J/mol×K	676.89	Calculated Property
Cp,gas	651.66	J/mol×K	757.67	Calculated Property
Cp,gas	686.79	J/mol×K	838.44	Calculated Property
Cp,gas	718.14	J/mol×K	919.22	Calculated Property
Cp,gas	746.71	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015062; 0.0000240]	Pa×s	[390.74; 619.03]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.77270e+01
Coefficient B			4.38758e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			390.74
Temperature range, max.			619.03
η	0.0015062	Pa×s	390.74	Calculated Property
η	0.0007596	Pa×s	416.11	Calculated Property
η	0.0004145	Pa×s	441.47	Calculated Property
η	0.0002415	Pa×s	466.84	Calculated Property
η	0.0001488	Pa×s	492.20	Calculated Property
η	0.0000961	Pa×s	517.57	Calculated Property
η	0.0000647	Pa×s	542.94	Calculated Property
η	0.0000451	Pa×s	568.30	Calculated Property
η	0.0000324	Pa×s	593.67	Calculated Property
η	0.0000240	Pa×s	619.03	Calculated Property

Similar Compounds

Find more compounds similar to 2,4-Bis(1-methylbutyl)phenol.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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